[3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine

C12H15ClFNO — CID 103049673

IUPAC[3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine
SMILESNCC1(Cc2cc(Cl)ccc2F)CCOC1
InChIInChI=1S/C12H15ClFNO/c13-10-1-2-11(14)9(5-10)6-12(7-15)3-4-16-8-12/h1-2,5H,3-4,6-8,15H2
InChIKeyOWVYGBOAXGWHLE-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.39
Rot. Bonds3

About [3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine

[3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine (PubChem CID 103049673) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is [3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine
PubChem CID103049673
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name[3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine
SMILESNCC1(Cc2cc(Cl)ccc2F)CCOC1
InChIInChI=1S/C12H15ClFNO/c13-10-1-2-11(14)9(5-10)6-12(7-15)3-4-16-8-12/h1-2,5H,3-4,6-8,15H2
InChIKeyOWVYGBOAXGWHLE-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine with MolForge

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Related Compounds

[4-(3-Chlorophenyl)oxan-4-yl]methanamine
CID 24273961
[3-[(3-Chloro-4-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 103041031
1-[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 103041088
N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 103041090
N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 103041093
N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 103041094
N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine
CID 103041095
1-[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 103041096
N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 103041097
N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 103041098
N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 103041099
N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 103041101

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of [3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine (CID 103049673) is [3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for [3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine is NCC1(Cc2cc(Cl)ccc2F)CCOC1.
What is the InChIKey of [3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine?
The InChIKey is OWVYGBOAXGWHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-10-1-2-11(14)9(5-10)6-12(7-15)3-4-16-8-12/h1-2,5H,3-4,6-8,15H2.
What are the key properties of [3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine?
[3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine has a molecular weight of 243.71 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 103049673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).